SCHEMBL15345133

SCHEMBL15345133

Cc1ccc2nc(C)n(C3CCOCC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.49
CDK9 P50750 2/20 0.48
CCNT1 O60563 1/20 0.48
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
KCNH2 Q12809 1/20 0.46
JAK3 P52333 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
MCHR1 Q99705 4/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17678354 0.89 CYP11B2 (0.58) CYP11B2CDK9CCNT1KDM4EALDH1A1
SCHEMBL25523015 0.86 CDK9 (0.46) CYP11B2CDK9CCNT1JAK2JAK1
SCHEMBL15341907 0.83 CDK9 (0.44) CYP11B2CDK9CCNT1JAK2JAK1
SCHEMBL15345132 0.82 CYP11B2 (0.49) CYP11B2CDK9CCNT1JAK2JAK1
SCHEMBL10219470 0.82 CYP2D6 (0.54) CYP11B2JAK2JAK1KDM4EALDH1A1
SCHEMBL15344929 0.82 CYP11B2 (0.45) CYP11B2CDK9CCNT1KDM4EALDH1A1
SCHEMBL15344938 0.79 CYP11B2 (0.45) CYP11B2CDK9CCNT1JAK2JAK1
SCHEMBL2688682 0.78 NPC1 (0.47) JAK2JAK1JAK3KDM4EALDH1A1
SCHEMBL2687800 0.77 ALDH1A1 (0.51) CDK9CCNT1JAK2JAK1JAK3
SCHEMBL15344930 0.77 CYP11B2 (0.44) CYP11B2CDK9CCNT1JAK2JAK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CYP11B2 19/4885CDK9 653/4885CCNT1 2456/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CYP11B2 19/4885CDK9 653/4885CCNT1 2456/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.